ATOM 27
1 C8x C 29.2287 -22.9744
2 C8x C 29.2287 -24.3418
3 C8x C 30.4129 -25.0255
4 C8y C 31.5972 -24.3418
5 C8y C 31.5972 -22.9744
6 C8x C 30.4129 -22.2907
7 N4x N 32.7814 -25.0255
8 C8y C 33.9655 -24.3418
9 C8y C 33.9655 -22.9744
10 C1y C 35.1498 -25.0255
11 N1y N 36.3340 -24.3418
12 C1x C 36.3340 -22.9744
13 C1x C 35.1498 -22.2907
14 C1x C 35.1498 -26.3929
15 C1y C 36.3340 -27.0767
16 C1y C 37.5182 -26.3929
17 C1x C 37.5182 -25.0255
18 C2c C 36.3340 -28.4441
19 C2b C 38.7025 -27.0767
20 C2a C 39.8867 -26.3929
21 C2b C 37.5182 -29.1278
22 O2a O 38.5682 -28.5352
23 C1a C 39.7525 -29.2189
24 C7a C 35.1498 -29.1278
25 O6a O 33.9861 -28.4557
26 O7a O 35.1498 -30.4952
27 C1a C 33.9655 -31.1789
BOND 30
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 10 14 1
17 14 15 1
18 15 16 1
19 16 17 1
20 11 17 1
21 15 18 1 #Up
22 16 19 1 #Down
23 19 20 2
24 18 21 2
25 21 22 1
26 22 23 1
27 18 24 1
28 24 25 2
29 24 26 1
30 26 27 1
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